Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.47 |
| ▸ | BCR | P11274 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.41 |
| ▸ | TUBB | P07437 | 1/20 | 0.41 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.41 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.41 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.41 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.41 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.41 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.41 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.41 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5803017 | 0.82 | ABL1 (0.55) | ABL1ABCB1BCRHDAC4HDAC2 | |
| SCHEMBL16147510 | 0.81 | ALKBH3 (0.44) | ABL1ABCB1BCRMAOBMAPT | |
| SCHEMBL16146952 | 0.80 | PTGS2 (0.42) | PDK2FFAR4ENPP1 | |
| SCHEMBL25119692 | 0.80 | ABL1 (0.53) | ABL1ABCB1BCRHDAC4HDAC2 | |
| SCHEMBL16148118 | 0.79 | PTGS2 (0.41) | TP53MAOBPDK2MAPTNPC1 | |
| SCHEMBL16147121 | 0.78 | STK10 (0.40) | MAPTNPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL2357521 | 0.78 | ABL1 (0.50) | ABL1ABCB1BCRHDAC4HDAC2 | |
| SCHEMBL12203379 | 0.76 | ABL1 (0.56) | ABL1ABCB1BCRHDAC4HDAC2 | |
| SCHEMBL6451341 | 0.76 | ALDH1A1 (0.45) | HDAC4HDAC2HDAC8TP53MAOB | |
| SCHEMBL16147512 | 0.76 | GSTP1 (0.49) | HDAC4HDAC2HDAC8PTPN1MAOB |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014165861-A1 | METAL-CATALYZED COUPLING OF ARYL AND VINYL HALIDES WITH ALPHA, ALPHA-DIFLUOROCARBONYL COMPOUNDS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2014-10-09 | — | — | WO | disclosed |